(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C20H27N3O3 — CID 154867230

IUPAC(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1ccc(N2CCC(C(=O)N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)nc1
InChIInChI=1S/C20H27N3O3/c1-12-2-5-16(21-11-12)23-8-6-13(7-9-23)19(24)22-18-15-4-3-14(10-15)17(18)20(25)26/h2,5,11,13-15,17-18H,3-4,6-10H2,1H3,(H,22,24)(H,25,26)/t14-,15+,17+,18-/m0/s1
InChIKeyVKWXQPBMHYDQQP-IDCNUPLLSA-N
MW357.45 g/mol
LogP2.22
Rot. Bonds4

About (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid

(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 154867230) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID154867230
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1ccc(N2CCC(C(=O)N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)nc1
InChIInChI=1S/C20H27N3O3/c1-12-2-5-16(21-11-12)23-8-6-13(7-9-23)19(24)22-18-15-4-3-14(10-15)17(18)20(25)26/h2,5,11,13-15,17-18H,3-4,6-10H2,1H3,(H,22,24)(H,25,26)/t14-,15+,17+,18-/m0/s1
InChIKeyVKWXQPBMHYDQQP-IDCNUPLLSA-N
XLogP2.22
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111696767
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111485089
1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
CID 75494567
2-cyclopropyl-2-hydroxy-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propanamide
CID 154757649
N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 110910842
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67243572
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 154867230) is (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid is Cc1ccc(N2CCC(C(=O)N[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)O)CC2)nc1.
What is the InChIKey of (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is VKWXQPBMHYDQQP-IDCNUPLLSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12-2-5-16(21-11-12)23-8-6-13(7-9-23)19(24)22-18-15-4-3-14(10-15)17(18)20(25)26/h2,5,11,13-15,17-18H,3-4,6-10H2,1H3,(H,22,24)(H,25,26)/t14-,15+,17+,18-/m0/s1.
What are the key properties of (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 357.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 154867230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).